Home | Screening data | Screen comparisons | Search for compounds | Structure search

Compound InformationSONAR Target prediction
Name:

3beta-CHLOROANDROSTANONE

Unique Identifier:SPE00100586
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C19ClH29O
Molecular Weight:280.663 g/mol
X log p:0.547  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:0
Canonical Smiles:CC12CCC(Cl)CC1CCC1C2CCC2(C)C1CCC2=O
Source:derivative

Found: 96 nonactive | as graph: single | with analogs [1] << Back 81 82 83 84 85 86 87 88 89 90  Next >> [96]
Species: 4932
Condition: SWE1
Replicates: 2
Raw OD Value: r im 0.7253±0.0147078
Normalized OD Score: sc h 0.9926±0.0126935
Z-Score: -0.2372±0.399447
p-Value: 0.783606
Z-Factor: -26.7564
Fitness Defect: 0.2438
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:2|D10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.10 Celcius
Date:2006-04-19 YYYY-MM-DD
Plate CH Control (+):0.038474999999999995±0.00164
Plate DMSO Control (-):0.722±0.01469
Plate Z-Factor:0.9262
png
ps
pdf

DBLink | Rows returned: 92 Next >> 
278632 3-chloro-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
6545165 (3R,5R,8R,9R,10S,13R,14S)-3-chloro-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclope
nta[a]phenanthren-17-one
6575230 (3S,5S,8S,9S,10R,13S,14R)-3-chloro-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclope
nta[a]phenanthren-17-one
6708555 (3S,5S,10S,13S)-3-chloro-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phen
anthren-17-one
7003647 (3S,5S,8R,9S,10R,13S,14S)-3-chloro-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclope
nta[a]phenanthren-17-one
7078946 (3R,5R,8R,9R,10S,13S,14S)-3-chloro-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclope
nta[a]phenanthren-17-one

internal high similarity DBLink | Rows returned: 0

active | Cluster 11774 | Additional Members: 14 | Rows returned: 5
SPE00107108 0.377049180327869
SPE00107113 0.353846153846154
SPE01503675 0.34375
SPE00310009 0
LOPAC 00697 0

Service provided by the Mike Tyers Laboratory